(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol

C15H21Cl2NO2 — CID 6560044

IUPAC(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO2/c1-11-3-2-6-18(8-11)9-13(19)10-20-15-5-4-12(16)7-14(15)17/h4-5,7,11,13,19H,2-3,6,8-10H2,1H3/t11-,13+/m1/s1
InChIKeyVDCAHDGCQYGKRX-YPMHNXCESA-N
MW318.24 g/mol
LogP3.46
Rot. Bonds5

About (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol

(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol (PubChem CID 6560044) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
PubChem CID6560044
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO2/c1-11-3-2-6-18(8-11)9-13(19)10-20-15-5-4-12(16)7-14(15)17/h4-5,7,11,13,19H,2-3,6,8-10H2,1H3/t11-,13+/m1/s1
InChIKeyVDCAHDGCQYGKRX-YPMHNXCESA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
1-(3-methylpiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 16798660
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 17472543
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 54774623
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione
CID 16805336
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888294
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol (CID 6560044) is (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol is C[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is VDCAHDGCQYGKRX-YPMHNXCESA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-11-3-2-6-18(8-11)9-13(19)10-20-15-5-4-12(16)7-14(15)17/h4-5,7,11,13,19H,2-3,6,8-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 318.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 6560044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).